7-methoxy-2,12,17-trimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene

C22H18O3 — CID 144582480

IUPAC7-methoxy-2,12,17-trimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
SMILESCOc1ccc2c(c1)oc1c(C)c3c(oc4cc(C)ccc43)c(C)c12
InChIInChI=1S/C22H18O3/c1-11-5-7-15-17(9-11)24-21-13(3)20-16-8-6-14(23-4)10-18(16)25-22(20)12(2)19(15)21/h5-10H,1-4H3
InChIKeyUOSNCKZCRVGWFD-UHFFFAOYSA-N
MW330.38 g/mol
LogP6.42
Rot. Bonds1

About 7-methoxy-2,12,17-trimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene

7-methoxy-2,12,17-trimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene (PubChem CID 144582480) has the molecular formula C22H18O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is 7-methoxy-2,12,17-trimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene.

Molecular Properties

Compound Name7-methoxy-2,12,17-trimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
PubChem CID144582480
Molecular FormulaC22H18O3
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Name7-methoxy-2,12,17-trimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
SMILESCOc1ccc2c(c1)oc1c(C)c3c(oc4cc(C)ccc43)c(C)c12
InChIInChI=1S/C22H18O3/c1-11-5-7-15-17(9-11)24-21-13(3)20-16-8-6-14(23-4)10-18(16)25-22(20)12(2)19(15)21/h5-10H,1-4H3
InChIKeyUOSNCKZCRVGWFD-UHFFFAOYSA-N
XLogP6.42
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.38
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-2,12,17-trimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene with MolForge

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Related Compounds

7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol
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3,9-dimethoxy-5-methyl-[1]benzofuro[3,2-c]quinolin-6-one
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3-methoxy-7-methyl-[1]benzofuro[3,2-b]pyridine
CID 177207014
9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 131750884
9-methoxy-6-phenylnaphtho[2,1-b][1]benzofuran
CID 155128175
2,16-dimethyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaene
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7-methoxy-4-methyl-3-nitrochromen-2-one
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19-methyl-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 123734566
3-chloro-6-methoxy-2H-[1]benzofuro[3,2-c]pyrazole
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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,12,17-trimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?
The IUPAC name of 7-methoxy-2,12,17-trimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene (CID 144582480) is 7-methoxy-2,12,17-trimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene.
What is the SMILES notation for 7-methoxy-2,12,17-trimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?
The canonical SMILES for 7-methoxy-2,12,17-trimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene is COc1ccc2c(c1)oc1c(C)c3c(oc4cc(C)ccc43)c(C)c12.
What is the InChIKey of 7-methoxy-2,12,17-trimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?
The InChIKey is UOSNCKZCRVGWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O3/c1-11-5-7-15-17(9-11)24-21-13(3)20-16-8-6-14(23-4)10-18(16)25-22(20)12(2)19(15)21/h5-10H,1-4H3.
What are the key properties of 7-methoxy-2,12,17-trimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?
7-methoxy-2,12,17-trimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene has a molecular weight of 330.38 g/mol, XLogP of 6.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,12,17-trimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene is sourced from PubChem (CID 144582480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).